chempirical

Ampiroxicam

C20H21N3O7SCAS 99464-64-9447.46 g/mol

Open in Covalent MOL file
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AcetalAlkeneCarbonateEtherSulfonamide

Properties

Molecular formula
C20H21N3O7S
Molar mass
447.46 g/mol
Exact mass
447.1100 Da
Melting point
159–161 °C
logP
3.21Crippen estimate
Polar surface area
127.6 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
99464-64-9
SMILES
CCOC(=O)OC(C)OC1=C(C(O)=Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21
InChIKey
LSNWBKACGXCGAJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Carbonic acid, ethyl 1-[[2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-1,2-benzothiazin-4-yl]oxy]ethyl ester
  • Carbonic acid, ethyl 1-[[2-methyl-3-[(2-pyridinylamino)carbonyl]-2H-1,2-benzothiazin-4-yl]oxy]ethyl ester, S,S-dioxide
  • 2H-1,2-Benzothiazine, carbonic acid deriv.
  • CP 65703
  • Nasil
  • Flucam

Work with Ampiroxicam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Piroxicam36322-90-458 % similar Tenoxicam59804-37-449 % similar 4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide24683-26-946 % similar Lornoxicam70374-39-945 % similar Meloxicam71125-38-739 % similar 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide35511-15-036 % similar 2-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide15448-99-434 % similar Bacampicillin50972-17-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook